Messages

1

General Questions and Answers / Re: Strain in Al-InSe-Al interface

« on: June 8, 2013, 14:18 »

thank you very much, I understand it

2

General Questions and Answers / Re: Strain in Al-InSe-Al interface

« on: June 7, 2013, 16:17 »

Increase the supercell size to make interface be matched as possible.

Thank you sir, yes, the strain decreases with increasing the supercell, but the number of atoms also greatly increase.
What is a compromise strain? 1%, 2%, or 3% ?

3

General Questions and Answers / Strain in Al-InSe-Al interface

« on: June 6, 2013, 16:51 »

Dear Sir
       I am trying to build a Al-InSe-Al interface, but I found the strain between the two supercells is 5.3%, I want to know if it is small enough to do the next calculations ?  The example of Si-Si3N4-interface you provided on website is only 0.1%, so  5.3% should be very large.   If it is too large, how should I adjust the structure ?

thank you very much